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3-(Adamantan-1-yl)propanoic acid

View entire compound with spectra: 1 NMR, and 1 FTIR

3-(Adamantan-1-yl)propanoic acid
SpectraBase Compound ID HhD9UKp4l1e
InChI InChI=1S/C13H20O2/c14-12(15)1-2-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2,(H,14,15)/t9-,10+,11-,13+
InChIKey MQLZRIWOJRILDI-UPFUWZEBSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4x6u0Hmdmzj
Name 3-(Adamantan-1-yl)propanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.146329882 u
Formula C13H20O2
InChI InChI=1S/C13H20O2/c14-12(15)1-2-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2,(H,14,15)/t9-,10+,11-,13+
InChIKey MQLZRIWOJRILDI-UPFUWZEBSA-N
Molecular Weight 208.301 g/mol
SMILES [C@]12(C[C@@]3(C[C@](C2)(CC(C1)(CCC(O)=O)C3)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956063